[(1S)-2-oxidanylidenecyclohexyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C15H15F3N2O5 MolecularWeight: 360.28521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H15F3N2O5/c16-15(17,18)9-5-6-10(11(7-9)20(23)24)19-8-14(22)25-13-4-2-1-3-12(13)21/h5-7,13,19H,1-4,8H2/t13-/m0/s1